| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9590601 | Journal of Molecular Structure: THEOCHEM | 2005 | 4 Pages |
Abstract
Based on the Holographic Electron Density Theorem and actual electron density deformation methods, the conditions for predicting approximately complete reaction path information from a few electron densities (ideally, a single electron density) along the reaction path are investigated.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Paul G. Mezey,